ethyl 2-(2,2-dimethylpropanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2,2-dimethylpropanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(2,2-dimethylpropanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,2-dimethylpropanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 5-methyl-4-(4-nitrophenyl)-2-(pivaloylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C(C)(C)C

InChI

InChI=1S/C19H22N2O5S/c1-6-26-17(22)15-14(12-7-9-13(10-8-12)21(24)25)11(2)27-16(15)20-18(23)19(3,4)5/h7-10H,6H2,1-5H3,(H,20,23)